Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 8/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | PTGIR | P43119 | 1/20 | 0.36 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3730910 | 0.92 | ALDH1A1 (0.38) | ALDH1A1HTTRXFP1PLK1PPARG | |
| SCHEMBL3735284 | 0.90 | ALDH1A1 (0.43) | ALDH1A1HTTRXFP1PLK1PPARG | |
| SCHEMBL3737487 | 0.90 | ALDH1A1 (0.36) | ALDH1A1HTTRXFP1PLK1PPARG | |
| SCHEMBL3726226 | 0.90 | MTTP (0.39) | ALDH1A1HTTRXFP1PPARGPPARA | |
| SCHEMBL1682996 | 0.90 | DHFR (0.37) | ALDH1A1HTTRXFP1PLK1PPARG | |
| SCHEMBL3726645 | 0.88 | RXFP1 (0.40) | ALDH1A1HTTRXFP1PPARGPPARA | |
| SCHEMBL3725186 | 0.88 | RXFP1 (0.37) | ALDH1A1HTTRXFP1PPARGPPARA | |
| Granotapide SCHEMBL1484041 | 0.88 | MTTP (0.44) | — | |
| SCHEMBL3722420 | 0.88 | MTTP (0.39) | RXFP1PPARGPPARAPPARDNR1H4 | |
| SCHEMBL3730523 | 0.87 | MTTP (0.39) | RXFP1PPARGPPARAPPARDNR1H4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100158996-A1 | ESTER COMPOUND AND MEDICAL USE THEREOF | JAPAN TOBACCO INC. | 2010-06-24 | — | — | US | claimed |
| US-20050075367-A1 | Ester compound and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2005-04-07 | — | — | US | claimed |
| EP-1479666-A1 | ESTER COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2004-11-24 | — | — | EP | claimed |
| US-20100158996-A1 | ESTER COMPOUND AND MEDICAL USE THEREOF | JAPAN TOBACCO INC. | 2010-06-24 | — | — | US | disclosed |
| US-20100158996-A1 | ESTER COMPOUND AND MEDICAL USE THEREOF | JAPAN TOBACCO INC. | 2010-06-24 | — | — | US | disclosed |
| US-20100158996-A1 | ESTER COMPOUND AND MEDICAL USE THEREOF | JAPAN TOBACCO INC. | 2010-06-24 | — | — | US | disclosed |
| US-7625948-B2 | Ester compound and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2009-12-01 | — | — | US | disclosed |
| US-7625948-B2 | Ester compound and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2009-12-01 | — | — | US | disclosed |
| US-7625948-B2 | Ester compound and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2009-12-01 | — | — | US | disclosed |
| EP-1806149-A1 | SOLID MEDICINAL PREPARATION IMPROVED IN SOLUBILITY AND STABILITY AND PROCESS FOR PRODUCING THE SAME | Japan Tobacco, Inc. (JP) | 2007-07-11 | — | — | EP | disclosed |
| US-20060153913-A1 | Solid formulation with improved solubility and stability, and method for producing said formulation | JAPAN TOBACCO INC. (JP) | 2006-07-13 | — | — | US | disclosed |
| US-20050075367-A1 | Ester compound and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2005-04-07 | — | — | US | disclosed |
| EP-1479666-A1 | ESTER COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2004-11-24 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050075367-A1 | Ester compound and medicinal use thereof | LIPC, CES1, MTTP | ALDH1A1 564/4885HTT 3320/4885RXFP1 461/4885 |
| US-20100158996-A1 | ESTER COMPOUND AND MEDICAL USE THEREOF | LIPC, CES1, MTTP | ALDH1A1 603/4885HTT 3271/4885RXFP1 284/4885 |
| US-20060153913-A1 | Solid formulation with improved solubility and stability, and method for producing said formulation | ABCG2, SORD, SRI | ALDH1A1 2353/4885HTT 1965/4885RXFP1 1605/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.